MMs01453553 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 2.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 3.9027 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 1.2707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2596 1.2594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0194 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7595 1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4997 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9903 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0023 0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2911 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5957 -0.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7028 -1.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0824 -3.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5918 -3.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9864 -2.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8793 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4097 -1.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -1.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -1.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 3.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8949 2.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2367 3.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3199 3.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6501 2.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2825 -1.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6243 -0.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1993 -1.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8902 1.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5601 2.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8977 -0.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4935 -0.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4155 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7375 -2.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2208 -3.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8241 -4.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3975 -3.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5828 -4.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8520 -3.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2596 1.2368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 51 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 M END